3-[(1-benzylbenzimidazol-2-yl)methyl]-5-methyl-1,2-oxazole

C19H17N3O — CID 71426136

IUPAC3-[(1-benzylbenzimidazol-2-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cc2nc3ccccc3n2Cc2ccccc2)no1
InChIInChI=1S/C19H17N3O/c1-14-11-16(21-23-14)12-19-20-17-9-5-6-10-18(17)22(19)13-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3
InChIKeyQMNVVBJWZFISIG-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.97
Rot. Bonds4

About 3-[(1-benzylbenzimidazol-2-yl)methyl]-5-methyl-1,2-oxazole

3-[(1-benzylbenzimidazol-2-yl)methyl]-5-methyl-1,2-oxazole (PubChem CID 71426136) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-[(1-benzylbenzimidazol-2-yl)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(1-benzylbenzimidazol-2-yl)methyl]-5-methyl-1,2-oxazole
PubChem CID71426136
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name3-[(1-benzylbenzimidazol-2-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cc2nc3ccccc3n2Cc2ccccc2)no1
InChIInChI=1S/C19H17N3O/c1-14-11-16(21-23-14)12-19-20-17-9-5-6-10-18(17)22(19)13-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3
InChIKeyQMNVVBJWZFISIG-UHFFFAOYSA-N
XLogP3.97
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987368
1-benzyl-2-chlorobenzimidazole
CID 3821987
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CID 2986295
1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878943
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
1,2-dibenzyl-6-chlorobenzimidazole
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1-benzyl-3-methylquinoxalin-2-one
CID 139051924

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylbenzimidazol-2-yl)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(1-benzylbenzimidazol-2-yl)methyl]-5-methyl-1,2-oxazole (CID 71426136) is 3-[(1-benzylbenzimidazol-2-yl)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(1-benzylbenzimidazol-2-yl)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(1-benzylbenzimidazol-2-yl)methyl]-5-methyl-1,2-oxazole is Cc1cc(Cc2nc3ccccc3n2Cc2ccccc2)no1.
What is the InChIKey of 3-[(1-benzylbenzimidazol-2-yl)methyl]-5-methyl-1,2-oxazole?
The InChIKey is QMNVVBJWZFISIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-14-11-16(21-23-14)12-19-20-17-9-5-6-10-18(17)22(19)13-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3.
What are the key properties of 3-[(1-benzylbenzimidazol-2-yl)methyl]-5-methyl-1,2-oxazole?
3-[(1-benzylbenzimidazol-2-yl)methyl]-5-methyl-1,2-oxazole has a molecular weight of 303.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylbenzimidazol-2-yl)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 71426136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).